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Sugi Predict / Compounds / SCHEMBL7814458

SCHEMBL7814458

SCHEMBL7814458

Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NC4CCN(C(=O)CCN(C=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c3Cl)c2n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.57
▸ BDKRB2 P30411 4/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7956402 0.92 RORC (0.51) RORCBDKRB2
SCHEMBL7814520 0.90 BDKRB2 (0.64) RORCBDKRB2
SCHEMBL7815251 0.90 BDKRB2 (0.50) RORCBDKRB2
SCHEMBL7811016 0.89 BDKRB2 (0.62) RORCBDKRB2
SCHEMBL7812380 0.89 BDKRB2 (0.66) RORCBDKRB2
SCHEMBL7812531 0.88 RORC (0.51) RORCBDKRB2
SCHEMBL7814455 0.87 BDKRB2 (0.57) RORCBDKRB2
SCHEMBL7814423 0.87 BDKRB2 (0.65) RORCBDKRB2
SCHEMBL7812394 0.87 RORC (0.67) RORCBDKRB2
Hydrochloric Acid SCHEMBL7952887 0.86 BDKRB2 (0.65) RORCBDKRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874841-B1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-10-04 — — EP disclosed
US-6211181-B1 ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIALLERGENS, AND ANTIASTHMATICS FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-03 — — US disclosed